4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonylsulfamoyl]benzoic acid

Systemtic Name: 4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonylsulfamoyl]benzoic acid Openeye Name: 4-[(3,5-ditert-butyl-4-hydroxy-benzoyl)sulfamoyl]benzoic acid CAS Name: 4-[[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 4-[(3,5-ditert-butyl-4-hydroxybenzoyl)sulfamoyl]benzoic acid Traditional Name: 4-[(3,5-ditert-butyl-4-hydroxy-benzoyl)sulfamoyl]benzoic acid Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C22H27NO6S/c1-21(2,3)16-11-14(12-17(18(16)24)22(4,5)6)19(25)23-30(28,29)15-9-7-13(8-10-15)20(26)27/h7-12,24H,1-6H3,(H,23,25)(H,26,27)